As2O7Sr2
As2O7Sr2 is a thermodynamically stable, insulating inorganic compound containing strontium, arsenic, and oxygen.
About As2O7Sr2
As2O7Sr2 is a complex inorganic compound composed of arsenic, oxygen, and strontium. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research.
Because it sits on the convex hull, this compound is considered thermodynamically stable. Its existence across multiple reported structures highlights its structural versatility and potential for further investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for As2O7Sr2, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of As2O7Sr2. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for As2O7Sr2, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for As2O7Sr2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P43 (No. 78) | tetragonal | 4.26 | 0.0000 | -6.825 | 4.43 |
| P41 (No. 76) | tetragonal | 3.35 | 0.0002 | -6.825 | 4.24 |
| P43 (No. 78) | tetragonal | — | — | — | 4.49 |
Frequently Asked Questions
Common questions about As2O7Sr2, answered from cross-validated data.
What is As2O7Sr2?
As2O7Sr2 is a thermodynamically stable, insulating inorganic compound containing strontium, arsenic, and oxygen.
What is the band gap of As2O7Sr2?
Is As2O7Sr2 a metal, semiconductor, or insulator?
Is As2O7Sr2 thermodynamically stable?
What is the crystal structure of As2O7Sr2?
What is the density of As2O7Sr2?
How many polymorphs of As2O7Sr2 are known?
What elements does As2O7Sr2 contain?
Where does the data for As2O7Sr2 come from?
How It Compares
As2O7Sr2 represents a distinct phase within the strontium-arsenic-oxygen system. As a thermodynamically stable insulator, it serves as a foundational reference point for understanding the structural and electronic behavior of complex arsenates.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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